Geometry & MOs

Info

ID:	199706
PubChem CID:	79283756
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	89.22
Dipole, Da:	6.48
IP(EA), eV:	-8.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)N=C(N2C3=CC4=C(CCC4)C=C3)N

DOS

IR

Vibrations